Geometry & MOs

Info

ID:	329615
PubChem CID:	126920353
Reduced:	FN8C13H13 (1)
Stoich.:	AB8C13D13 (1)
Weight, g/mol:	322.165443
ΔH_f, kcal/mol:	116.89
Dipole, Da:	7.95
IP(EA), eV:	-9.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C(CN1C2=NN3C=NN=C3C=C2)CNC4=NC=NC=C4F

DOS

IR

Vibrations